CID 1235170

6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile

Structural Information

Molecular Formula
C18H11BrN2O2
SMILES
C1=CC=C(C=C1)C2=C(C(=O)NC(=C2)C3=C(C=CC(=C3)Br)O)C#N
InChI
InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)
InChIKey
SVSYJTYGPLVUOZ-UHFFFAOYSA-N
Compound name
6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

24
Patents

366.0004 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.00768 178.8
[M+Na]+ 388.98962 192.8
[M-H]- 364.99312 184.3
[M+NH4]+ 384.03422 190.7
[M+K]+ 404.96356 177.1
[M+H-H2O]+ 348.99766 169.8
[M+HCOO]- 410.99860 195.3
[M+CH3COO]- 425.01425 189.2
[M+Na-2H]- 386.97507 182.1
[M]+ 365.99985 188.9
[M]- 366.00095 188.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.